2-methoxy-5-[[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]methyl]benzoic acid

Systemtic Name: 2-methoxy-5-[[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]methyl]benzoic acid Openeye Name: 5-[[[(E)-3-(4-isopropylphenyl)prop-2-enoyl]amino]methyl]-2-methoxy-benzoic acid CAS Name: 2-methoxy-5-[[[(E)-1-oxo-3-(4-propan-2-ylphenyl)prop-2-enyl]amino]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]methyl]benzoic acid Traditional Name: 2-methoxy-5-[[[(E)-3-p-cumenylacryloyl]amino]methyl]benzoic acid Formula: C21H23NO4 MolecularWeight: 353.41162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C=CC(=O)NCC2=CC(=C(C=C2)OC)C(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)/C=C/C(=O)NCC2=CC(=C(C=C2)OC)C(=O)O

InChI

InChI=1S/C21H23NO4/c1-14(2)17-8-4-15(5-9-17)7-11-20(23)22-13-16-6-10-19(26-3)18(12-16)21(24)25/h4-12,14H,13H2,1-3H3,(H,22,23)(H,24,25)/b11-7+